Geometry & MOs

Info

ID:	131878
PubChem CID:	51273503
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	364.124549
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	6.95
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations